N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

C33H41F3N8O — CID 11467713

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2
InChIInChI=1S/C33H41F3N8O/c1-5-43-15-7-8-22(43)19-38-31(45)29-40-26-20-44(30-25(33(34,35)36)9-6-14-37-30)16-12-23(26)28(41-29)39-21-10-11-24-27(18-21)42(4)17-13-32(24,2)3/h6,9-11,14,18,22H,5,7-8,12-13,15-17,19-20H2,1-4H3,(H,38,45)(H,39,40,41)
InChIKeyIIJPHQOWPQMIKN-UHFFFAOYSA-N
MW622.74 g/mol
LogP5.53
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (PubChem CID 11467713) has the molecular formula C33H41F3N8O and a molecular weight of 622.74 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
PubChem CID11467713
Molecular FormulaC33H41F3N8O
Molecular Weight622.74 g/mol
Exact Mass622.34
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2
InChIInChI=1S/C33H41F3N8O/c1-5-43-15-7-8-22(43)19-38-31(45)29-40-26-20-44(30-25(33(34,35)36)9-6-14-37-30)16-12-23(26)28(41-29)39-21-10-11-24-27(18-21)42(4)17-13-32(24,2)3/h6,9-11,14,18,22H,5,7-8,12-13,15-17,19-20H2,1-4H3,(H,38,45)(H,39,40,41)
InChIKeyIIJPHQOWPQMIKN-UHFFFAOYSA-N
XLogP5.53
TPSA89.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.74
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (CID 11467713) is N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is CCN1CCCC1CNC(=O)c1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is IIJPHQOWPQMIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41F3N8O/c1-5-43-15-7-8-22(43)19-38-31(45)29-40-26-20-44(30-25(33(34,35)36)9-6-14-37-30)16-12-23(26)28(41-29)39-21-10-11-24-27(18-21)42(4)17-13-32(24,2)3/h6,9-11,14,18,22H,5,7-8,12-13,15-17,19-20H2,1-4H3,(H,38,45)(H,39,40,41).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 622.74 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 11467713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).